methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate

C15H20N2O3 — CID 80709959

IUPACmethyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(C)nc1)C1CCCC1
InChIInChI=1S/C15H20N2O3/c1-11-7-8-12(9-16-11)15(19)17(10-14(18)20-2)13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3
InChIKeyZTRSBQANLFOVRX-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.95
Rot. Bonds4

About methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate

methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate (PubChem CID 80709959) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate
PubChem CID80709959
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(C)nc1)C1CCCC1
InChIInChI=1S/C15H20N2O3/c1-11-7-8-12(9-16-11)15(19)17(10-14(18)20-2)13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3
InChIKeyZTRSBQANLFOVRX-UHFFFAOYSA-N
XLogP1.95
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate (CID 80709959) is methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate is COC(=O)CN(C(=O)c1ccc(C)nc1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate?
The InChIKey is ZTRSBQANLFOVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-7-8-12(9-16-11)15(19)17(10-14(18)20-2)13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate?
methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate has a molecular weight of 276.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 80709959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).